2-(1,3-benzothiazol-2-yl)-1,3-oxazole

C10H6N2OS — CID 57170013

IUPAC2-(1,3-benzothiazol-2-yl)-1,3-oxazole
SMILESc1ccc2sc(-c3ncco3)nc2c1
InChIInChI=1S/C10H6N2OS/c1-2-4-8-7(3-1)12-10(14-8)9-11-5-6-13-9/h1-6H
InChIKeyXOMQGSXAHRKEPH-UHFFFAOYSA-N
MW202.24 g/mol
LogP2.95
Rot. Bonds1

About 2-(1,3-benzothiazol-2-yl)-1,3-oxazole

2-(1,3-benzothiazol-2-yl)-1,3-oxazole (PubChem CID 57170013) has the molecular formula C10H6N2OS and a molecular weight of 202.24 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-yl)-1,3-oxazole.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-yl)-1,3-oxazole
PubChem CID57170013
Molecular FormulaC10H6N2OS
Molecular Weight202.24 g/mol
Exact Mass202.02
IUPAC Name2-(1,3-benzothiazol-2-yl)-1,3-oxazole
SMILESc1ccc2sc(-c3ncco3)nc2c1
InChIInChI=1S/C10H6N2OS/c1-2-4-8-7(3-1)12-10(14-8)9-11-5-6-13-9/h1-6H
InChIKeyXOMQGSXAHRKEPH-UHFFFAOYSA-N
XLogP2.95
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.24
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-yl)-1,3-oxazole?
The IUPAC name of 2-(1,3-benzothiazol-2-yl)-1,3-oxazole (CID 57170013) is 2-(1,3-benzothiazol-2-yl)-1,3-oxazole.
What is the SMILES notation for 2-(1,3-benzothiazol-2-yl)-1,3-oxazole?
The canonical SMILES for 2-(1,3-benzothiazol-2-yl)-1,3-oxazole is c1ccc2sc(-c3ncco3)nc2c1.
What is the InChIKey of 2-(1,3-benzothiazol-2-yl)-1,3-oxazole?
The InChIKey is XOMQGSXAHRKEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2OS/c1-2-4-8-7(3-1)12-10(14-8)9-11-5-6-13-9/h1-6H.
What are the key properties of 2-(1,3-benzothiazol-2-yl)-1,3-oxazole?
2-(1,3-benzothiazol-2-yl)-1,3-oxazole has a molecular weight of 202.24 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-yl)-1,3-oxazole is sourced from PubChem (CID 57170013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).